4-aminocarbonyl-1-(4-tert-butylphenyl)carbonyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-aminocarbonyl-1-(4-tert-butylphenyl)carbonyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-tert-butylbenzoyl)-4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-tert-butylbenzoyl)-4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-tert-butylbenzoyl)-4-carbamoyl-2-(1H-imidazol-5-ylmethyl)-5-(2-thienyl)proline Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)N)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C25H28N4O4S/c1-24(2,3)16-8-6-15(7-9-16)22(31)29-20(19-5-4-10-34-19)18(21(26)30)12-25(29,23(32)33)11-17-13-27-14-28-17/h4-10,13-14,18,20H,11-12H2,1-3H3,(H2,26,30)(H,27,28)(H,32,33)